ChemSpider 2D Image | O-Ethyl 5-ethoxy-1,2-thiazole-4-carbothioate | C8H11NO2S2

O-Ethyl 5-ethoxy-1,2-thiazole-4-carbothioate

  • Molecular FormulaC8H11NO2S2
  • Average mass217.308 Da
  • Monoisotopic mass217.023117 Da
  • ChemSpider ID24209025

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

146904-67-8 [RN]
4-Isothiazolecarbothioic acid, 5-ethoxy-, O-ethyl ester [ACD/Index Name]
5-Éthoxy-1,2-thiazole-4-carbothioate de O-éthyle [French] [ACD/IUPAC Name]
O-Ethyl 5-ethoxy-1,2-thiazole-4-carbothioate [ACD/IUPAC Name]
O-Ethyl-5-ethoxy-1,2-thiazol-4-carbothioat [German] [ACD/IUPAC Name]
4-Isothiazolecarbothioic acid, 5-ethoxy-, O-ethyl ester (9CI)
4-ISOTHIAZOLECARBOTHIOIC ACID,5-ETHOXY-,O-ETHYL ESTER
4-Isothiazolecarbothioicacid,5-ethoxy-,O-ethylester(9CI)
O-ethyl 5-ethoxyisothiazole-4-carbothioate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 230.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.8±3.0 kJ/mol
Flash Point: 93.0±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 57.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.64
ACD/KOC (pH 5.5): 237.48
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.66
ACD/KOC (pH 7.4): 237.85
Polar Surface Area: 92 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 174.9±3.0 cm3

Click to predict properties on the Chemicalize site






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